Compound Identification
SMILES
BrCC1CN2C(O1)C(C(=O)NC2=O)C1=CC=CC=C1
InChIKey
InChIKey=DFDGSUXSGLUAGM-UHFFFAOYSA-N
Formula
C13H13BrN2O3
Mass
325.162
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidones
- Level 6 Barbituric acid derivatives
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Level 5
Pyrimidones
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidones
Direct Parent
Barbituric acid derivatives
Alternative Parents
N-acyl ureas Diazinanes Benzene and substituted derivatives Oxazolidines Dicarboximides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Barbiturate - N-acyl urea - Ureide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Dicarboximide - Oxazolidine - Carbonic acid derivative - Urea - Carboxylic acid derivative - Oxacycle - Azacycle - Organobromide - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl bromide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
External Descriptors
Not available